Benzofuroxan

CAS

480-96-6

Catalog Number

ACM480966

Category

Other Products

Molecular Weight

136.11

Molecular Formula

C₆H₄N₂O₂

MSDS COA Spec Sheet

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Specification

Synonyms

Benzofuroxane, Benzofuroxan, Benzofurazan oxide, Benzofurazan, 1-oxide, Benzofurazan N-oxide, Benzofurazan 1-oxide, 2,1,3-Benzoxadiazole 1-oxide, 2,1,3-Benzoxadiazole, 1-oxide, 1-Benzo-2-oxa-1,3-diazole oxide, CID68075, NSC19930, EINECS 207-559-1, NSC 19930, SBB008864, ZINC00154724, AI3-62099, TL8003250, 480-96-6, InChI=1/C6H4N2O2/c9-8-6-4-2-1-3-5(6)7-10-8/h1-4, 114044-18-7

IUPAC Name

1-oxido-2,1,3-benzoxadiazol-1-ium

Canonical SMILES

C1=CC2=NO[N+](=C2C=C1)[O-]

InChI Key

OKEAMBAZBICIFP-UHFFFAOYSA-N

Boiling Point

246.2ºC at 760 mmHg

Melting Point

66-69ºC

Flash Point

102.7ºC

Density

1.49 g/cm³

Appearance

Yellow powder.

EC Number

207-559-1

Exact Mass

136.02700

Hazard Statements

Xi: Irritant;

H-Bond Acceptor

H-Bond Donor

Safety Description

S24/25

Stability

Stable under normal temperatures and pressures.

Upstream Synthesis Route 1

88-74-4

480-96-6

Reference: [1]Australian Journal of Chemistry,1992,vol. 45,p. 371 - 384

Upstream Synthesis Route 2

273-09-6

480-96-6

Reference: [1]Journal of Chemical Thermodynamics,1991,vol. 23,p. 31 - 36

Downstream Synthesis Route 1

480-96-6

273-13-2

Reference: [1] Bulletin des Societes Chimiques Belges, 1980, vol. 89, # 3, p. 247 - 254

Downstream Synthesis Route 2

480-96-6

54286-63-4

Reference: [1] Journal of the Chemical Society, 1931, p. 3308
[2] Journal of the Chemical Society, 1931, p. 3308
[3] Journal of Polymer Science, Part A: Polymer Chemistry, 2012, vol. 50, # 19, p. 3996 - 4003
[4] Journal of Materials Chemistry C, 2015, vol. 3, # 35, p. 9145 - 9153
[5] Synthetic Communications, 2016, vol. 46, # 12, p. 1052 - 1061